General Information of the Compound
| Compound ID |
CP0574901
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| Compound Name |
N-[(3-fluorophenyl)methyl]-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
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| Structure |
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| Formula |
C28H32FN9O
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| Molecular Weight |
529.624
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| Canonical SMILES |
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)NCc3cccc(F)c3)cc2)n1
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| InChI |
InChI=1S/C28H32FN9O/c1-19-14-25(36-35-19)32-24-17-26(38-12-10-37(2)11-13-38)34-28(33-24)31-23-8-6-20(7-9-23)16-27(39)30-18-21-4-3-5-22(29)15-21/h3-9,14-15,17H,10-13,16,18H2,1-2H3,(H,30,39)(H3,31,32,33,34,35,36)
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| InChIKey |
YYZSRVLQHXAWQE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound